⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18665142 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL18874463 | 0.78 | CES2 (0.44) | — | |
| SCHEMBL20925013 | 0.78 | CES2 (0.44) | — | |
| SCHEMBL22571798 | 0.77 | CES2 (0.30) | — | |
| Iodide SCHEMBL10431384 | 0.76 | CES2 (0.42) | — | |
| SCHEMBL19072268 | 0.75 | — | — | |
| SCHEMBL8054697 | 0.73 | — | — | |
| SCHEMBL22544370 | 0.73 | — | — | |
| SCHEMBL18655353 | 0.73 | MAPT (0.38) | — | |
| SCHEMBL27683314 | 0.73 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023063148-A1 | RESIST UNDERLAYER FILM-FORMING COMPOSITION | 日産化学株式会社 | 2023-04-20 | — | — | WO | disclosed |
| CN-106458994-B | Biaryl kinase inhibitor | 百时美施贵宝公司 | 2019-09-13 | — | — | CN | disclosed |
| CN-108368084-A | Biaryl kinase inhibitors | 百时美施贵宝公司 | 2018-08-03 | — | — | CN | disclosed |
| CN-108290843-A | Biaryl based kinase inhibitors | 百时美施贵宝公司 | 2018-07-17 | — | — | CN | disclosed |